PHENACETIN

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: Parent
ATC: N02BE03
UNII: ER0CTH01H9

Structure
InChI Key CPJSUEIXXCENMM-UHFFFAOYSA-N
Smile CCOc1ccc(NC(C)=O)cc1
InChI
InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H13NO2
Molecular Weight 179.22
AlogP 2.04
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 38.33
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 13.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1A Cytochrome P450 1A2
- - - - 84
Enzyme
- - - - 10
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - -1-98
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC47 family of multidrug and toxin extrusion transporters
- - - - 53

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEBI 8050
ChEMBL CHEMBL16073
DrugBank DB03783
DrugCentral 2115
EPA CompTox DTXSID1021116
FDA SRS ER0CTH01H9
Guide to Pharmacology 7402
KEGG C07591
PDB N4E
PharmGKB PA450897
PubChem 4754
SureChEMBL SCHEMBL23280
ZINC ZINC000000000602
CONTENTS